UCSF

ZINC35017053

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 22 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 6.33 -10.83 3 5 0 71 340.47 7
Hi High (pH 8-9.5) 1.83 5.02 -36.59 2 5 -1 77 339.462 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )